(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine

C18H19N3O2 — CID 31017822

IUPAC(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OC[C@@H](NCc1nc3ccccc3[nH]1)C2
InChIInChI=1S/C18H19N3O2/c1-22-16-8-4-5-12-9-13(11-23-18(12)16)19-10-17-20-14-6-2-3-7-15(14)21-17/h2-8,13,19H,9-11H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyOMDMTQKESWXUEY-ZDUSSCGKSA-N
MW309.37 g/mol
LogP2.66
Rot. Bonds4

About (3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine

(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 31017822) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID31017822
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OC[C@@H](NCc1nc3ccccc3[nH]1)C2
InChIInChI=1S/C18H19N3O2/c1-22-16-8-4-5-12-9-13(11-23-18(12)16)19-10-17-20-14-6-2-3-7-15(14)21-17/h2-8,13,19H,9-11H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyOMDMTQKESWXUEY-ZDUSSCGKSA-N
XLogP2.66
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 70767537
8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45249546
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)acetamide
CID 131934776
3-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]-1-methylquinolin-2-one
CID 131900980
3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 70497910
4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol
CID 45219852
8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45249758
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
CID 163313873
8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 86806743
(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 99778884

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine (CID 31017822) is (3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1OC[C@@H](NCc1nc3ccccc3[nH]1)C2.
What is the InChIKey of (3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is OMDMTQKESWXUEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-16-8-4-5-12-9-13(11-23-18(12)16)19-10-17-20-14-6-2-3-7-15(14)21-17/h2-8,13,19H,9-11H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 309.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 31017822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).